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Electronic response of the surroundings

The induced dipole formulation is an example of the so-called polarizable embedding but it is not the only possible choice. There are in fact various alternatives schemes to simulate the polarization of the MM subsystem, such as the fluctuating charges [24, 25], the classical Drude oscillators [26], or the Electronic Response of the Surroundings (ESR) [27] which mixes a non-polarizable MM scheme with a polarizable continuum model characterized by a dielectric constant extrapolated at infinite frequency. [Pg.330]


See other pages where Electronic response of the surroundings is mentioned: [Pg.5]    [Pg.46]    [Pg.353]   
See also in sourсe #XX -- [ Pg.353 ]




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Surround

Surrounding

Surroundings

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